2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)acetamide

C19H14ClFN4O2S — CID 55958118

IUPAC2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)acetamide
SMILESO=C(CC1Sc2ccc(Cl)cc2NC1=O)Nc1ccc(-n2cccn2)c(F)c1
InChIInChI=1S/C19H14ClFN4O2S/c20-11-2-5-16-14(8-11)24-19(27)17(28-16)10-18(26)23-12-3-4-15(13(21)9-12)25-7-1-6-22-25/h1-9,17H,10H2,(H,23,26)(H,24,27)
InChIKeyAIOCACSQRNVVTO-UHFFFAOYSA-N
MW416.87 g/mol
LogP4.11
Rot. Bonds4

About 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)acetamide

2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)acetamide (PubChem CID 55958118) has the molecular formula C19H14ClFN4O2S and a molecular weight of 416.87 g/mol. Its IUPAC name is 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)acetamide
PubChem CID55958118
Molecular FormulaC19H14ClFN4O2S
Molecular Weight416.87 g/mol
Exact Mass416.05
IUPAC Name2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)acetamide
SMILESO=C(CC1Sc2ccc(Cl)cc2NC1=O)Nc1ccc(-n2cccn2)c(F)c1
InChIInChI=1S/C19H14ClFN4O2S/c20-11-2-5-16-14(8-11)24-19(27)17(28-16)10-18(26)23-12-3-4-15(13(21)9-12)25-7-1-6-22-25/h1-9,17H,10H2,(H,23,26)(H,24,27)
InChIKeyAIOCACSQRNVVTO-UHFFFAOYSA-N
XLogP4.11
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.87
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-pyrazol-1-ylphenyl)acetamide
CID 55932309
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(3-fluorophenyl)acetamide
CID 51284892
2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-(4-nitrophenyl)acetamide
CID 7220977
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 134037676
N-(4-chloro-2-fluorophenyl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9211540
N-[2-(4-bromoanilino)-2-oxoethyl]-2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 55960303
2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 40953171
3-[[2-[(2S)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]-N,N-diethylbenzamide
CID 32824641
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-quinolin-8-ylacetamide
CID 24566416
N-(3,5-dichlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 2936875
N-(3,5-dichlorophenyl)-2-[(2R)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide
CID 1305748
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 55636640

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)acetamide?
The IUPAC name of 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)acetamide (CID 55958118) is 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)acetamide?
The canonical SMILES for 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)acetamide is O=C(CC1Sc2ccc(Cl)cc2NC1=O)Nc1ccc(-n2cccn2)c(F)c1.
What is the InChIKey of 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)acetamide?
The InChIKey is AIOCACSQRNVVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN4O2S/c20-11-2-5-16-14(8-11)24-19(27)17(28-16)10-18(26)23-12-3-4-15(13(21)9-12)25-7-1-6-22-25/h1-9,17H,10H2,(H,23,26)(H,24,27).
What are the key properties of 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)acetamide?
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)acetamide has a molecular weight of 416.87 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)acetamide is sourced from PubChem (CID 55958118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).